Surface Modeling Expert - Fully Remote | Upto $84/hr

About the job Mercor connects elite creative and technical talent with leading AI research labs. Headquartered in San Francisco, our investors include Benchmark , General Catalyst , Peter Thiel , Adam D'Angelo , Larry Summers , and Jack Dorsey . Position: Atomistic & Surface Modeling Experts (Computational Materials & Catalysis) Type: Contract Compensation: $84/hour Location: Remote Commitment: 10–40 hours/week Role Responsibilities • Contribute domain expertise in first-principles and molecular simulation . Focus on electronic structure , surface and interface modeling , adsorption , and reaction energetics to build high-quality training and evaluation data. • Review and evaluate AI-generated scientific reasoning . Catch errors and improve technical accuracy. • Design and solve challenging problems in atomistic and surface modeling . • Rate and rank model outputs against defined scientific criteria. Provide clear written reasoning. • Structure technical knowledge into well-organized, model-ready data. Include simulation setups , methods , and results . • Deliver reliable, high-quality work within defined timelines. Qualifications Must-Have • Hands-on experience with atomistic modeling using first-principles or molecular methods ( DFT , ab initio molecular dynamics , classical MD , or Monte Carlo ). • Experience modeling surfaces , interfaces , and adsorption or reaction phenomena ( slab models , surface reconstructions , transition states , NEB , microkinetics ). • Experience modeling semiconductor-relevant materials or a background in computational (heterogeneous) catalysis . • Proficiency with standard tooling (e.g., VASP , Quantum ESPRESSO , CP2K , GPAW , LAMMPS , ASE , pymatgen ). • A PhD in materials science , chemistry , physics , chemical engineering , or a related field, ideally with several years of research experience beyond the PhD . • Clear written English and the ability to explain technical reasoning concisely. Application Process (Takes 20–30 mins to complete) • Upload resume • AI interview based on your resume • Submit form Resources & Support • For details about the interview process and platform information, please check: • For any help or support, reach out to: PS: Our team reviews applications daily. Please complete your AI interview and application steps to be considered for this opportunity. Originally posted on Himalayas